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arXiv:0707.0584 · Physical Review B

Magnetic susceptibility of the two-dimensional Hubbard model using a power series for the hopping constant

A. Sherman, Michael Schreiber

Published Dec 14, 2007• 14 citations
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Abstract

The magnetic susceptibility of the two-dimensional repulsive Hubbard model with nearest-neighbor hopping is investigated using the diagram technique developed for the case of strong correlations. In this technique, a power series in the hopping constant is used. At half-filling, the calculated zero-frequency susceptibility and the square of the site spin reproduce adequately the results of Monte Carlo simulations. Also, in agreement with numerical simulations, no evidence of ferromagnetic correlations was found in the considered range of electron concentrations $0.8\ensuremath{\lesssim}\overline{n}\ensuremath{\lesssim}1.2$ for the repulsion parameters $8\ensuremath{\mid}t\ensuremath{\mid}\ensuremath{\leqslant}U\ensuremath{\leqslant}16\ensuremath{\mid}t\ensuremath{\mid}$. However, for larger $U∕\ensuremath{\mid}t\ensuremath{\mid}$ and $\ensuremath{\mid}1\ensuremath{-}\overline{n}\ensuremath{\mid}\ensuremath{\approx}0.2$, the nearest-neighbor correlations become ferromagnetic. For $\overline{n}\ensuremath{\lesssim}0.94$ and $\overline{n}\ensuremath{\gtrsim}1.06$, the imaginary part of the real-frequency susceptibility becomes incommensurate for small frequencies. The incommensurability parameter grows with departure from half-filling and decreases with increasing frequency. This behavior of the susceptibility can explain the observed low-frequency incommensurate response observed in normal-state lanthanum cuprates.

DOI
10.1103/physrevb.76.245112

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The magnetic susceptibility of the two-dimensional repulsive Hubbard model with nearest-neighbor hopping is investigated using the diagram technique developed for the case of strong correlations. In this technique, a power series in the hopping constant is used. At half-filling, the calculated zero-frequency susceptibility and the square of the site spin reproduce adequately the results of Monte Carlo simulations. Also, in agreement with numerical simulations, no evidence of ferromagnetic correlations was found in the considered range of electron concentrations 0.8\ensuremath≲n‾\ensuremath≲1.20.8\ensuremath{\lesssim}\overline{n}\ensuremath{\lesssim}1.20.8\ensuremath≲n\ensuremath≲1.2 for the repulsion parameters 8\ensuremath∣t\ensuremath∣\ensuremath⩽U\ensuremath⩽16\ensuremath∣t\ensuremath∣8\ensuremath{\mid}t\ensuremath{\mid}\ensuremath{\leqslant}U\ensuremath{\leqslant}16\ensuremath{\mid}t\ensuremath{\mid}8\ensuremath∣t\ensuremath∣\ensuremath⩽U\ensuremath⩽16\ensuremath∣t\ensuremath∣. However, for larger U∕\ensuremath∣t\ensuremath∣U∕\ensuremath{\mid}t\ensuremath{\mid}U∕\ensuremath∣t\ensuremath∣ and \ensuremath∣1\ensuremath−n‾\ensuremath∣\ensuremath≈0.2\ensuremath{\mid}1\ensuremath{-}\overline{n}\ensuremath{\mid}\ensuremath{\approx}0.2\ensuremath∣1\ensuremath−n\ensuremath∣\ensuremath≈0.2, the nearest-neighbor correlations become ferromagnetic. For n‾\ensuremath≲0.94\overline{n}\ensuremath{\lesssim}0.94n\ensuremath≲0.94 and n‾\ensuremath≳1.06\overline{n}\ensuremath{\gtrsim}1.06n\ensuremath≳1.06, the imaginary part of the real-frequency susceptibility becomes incommensurate for small frequencies. The incommensurability parameter grows with departure from half-filling and decreases with increasing frequency. This behavior of the susceptibility can explain the observed low-frequency incommensurate response observed in normal-state lanthanum cuprates.
Abstract. Magnetic and charge susceptibilities of the two-dimensional repulsive Hubbard model are investigated applying a strong coupling diagram technique in which the expansion in powers of the hopping constants is used. For small lattices and high temperatures results are in agreement with Monte Carlo simulations. With the departure from half-filling x the low-frequency magnetic susceptibility becomes incommensurate and the incommensurability parameter grows with x. The incommensurability, its dependence on frequency and on x resemble experimental results in lanthanum cuprates. Also for finite x sharp maxima appear in the static charge susceptibility. The maxima are finite which points to the absence of the long-range charge ordering (static stripes). However, for x ≈ 0.12 the maxima are located near the momenta (0, ±π/2), (±π/2, 0). In this case an interaction of carriers with tetragonal distortions can stabilize stripes with the wavelength of four lattice spacings, as observed in the low-temperature tetragonal phase of cuprates. As follows from the obtained results, the magnetic incommensurability is not a consequence of the stripes. The Hubbard model is thought to be appropriate to describe the main features of electron correlations in narrow energy bands, leading to collective effects such as magnetism and
The charge susceptibility of the two-dimensional repulsive Hubbard model is investigated by using the diagram technique developed for the case of strong correlations. In this technique, a power series in the hopping constant is used. It is shown that once the Fermi level crosses one of the Hubbard subbands, a sharp peak appears in the momentum dependence of the static susceptibility. With further departure from half-filling, the peak transforms to a ridge around the $\ensuremath{\Gamma}$ point. Within the considered range $0\ensuremath{\le}|1\ensuremath{-}\overline{n}|\ensuremath{\lesssim}0.2$ of the electron filling n‾\overline{n}n, the static susceptibility is finite, which points to the absence of long-range charge ordering. However, for $|1\ensuremath{-}\overline{n}|\ensuremath{\approx}0.12$, the susceptibility maxima are located halfway between the center and the boundaries of the Brillouin zone. In this case, an interaction of the carriers with the tetragonal distortions can stabilize the charge-density wave with the wavelength of four lattice spacings, as experimentally observed in the low-temperature tetragonal phase of lanthanum cuprates. Within the range of parameters inherent in cuprate perovskites, the character of the susceptibility evolution with n‾\overline{n}n depends only weakly on the ratio of the nearest-neighbor hopping constant to the Hubbard repulsion and on details of the initial band structure. The location of the susceptibility maxima in the Brillouin zone is mainly determined by the value of n‾\overline{n}n.
The observed magnetic spin susceptibility of high-temperature superconductors such as ${\mathrm{La}}_{2\mathrm{\ensuremath{-}}\mathit{x}}$Srx{\mathrm{Sr}}_{\mathit{x}}Srx​CuO4{\mathrm{CuO}}_{4}CuO4​ increases when x increases from zero, i.e., as one dopes away from half-filling. Recent Monte Carlo simulations of A. Moreo [Phys. Rev. B 48, 3380 (1993)] suggest that this behavior can be reproduced by the two-dimensional Hubbard model only at large coupling, namely, U/t of order 10. Using longer runs, our Monte Carlo simulations show that the same behavior as for U/t=10 is obtained even in the intermediate coupling regime (U/t=4), as long as the temperature is low enough (T=t/6) that strong antiferromagnetic correlations are building up at half-filling. These results are consistent with the fact that in two dimensions, the generalized random phase approximation should fail in the parameter range where it predicts a magnetic phase transition.
Using the quantum Monte Carlo simulation technique for the lattice fermion systems, we study the charge susceptibility of the two-dimensional Hubbard near the half-filled band. Lattice sizes up to 6×6 and inverse temperatures up to 6 t ( t : hopping parameter) are studied. We find that the behavior of the charge susceptibility is strongly dependent on the electron concentration at low temperature: the charge susceptibility is suppressed at the half-filled band, while it is considerably enhanced in non-half-filled band cases by the electron correlation. The above behavior of the charge susceptibility is quite similar to the recent Bethe-Ansatz result for the one-dimensional Hubbard model.
Using quantum Monte Carlo techniques we study the magnetic susceptibility of the Hubbard model on a two-dimensional square lattice for values of the coupling U/t ranging from 4 to 20, and as a function of temperature and doping. For U/t=4 the magnetic susceptibility has a maximum at half filling and decreases with doping, in qualitative agreement with recent random-phase-approximation calculations. However, for U/t=10 the susceptibility increases with hole doping near half filling resembling the experimental results obtained for ${\mathrm{La}}_{2\mathrm{\ensuremath{-}}\mathit{x}}$Srx{\mathrm{Sr}}_{\mathit{x}}Srx​CuO4{\mathrm{CuO}}_{4}CuO4​. At low electronic density the temperature dependence of the susceptibility is compatible with that of a Fermi liquid.
We develop series expansions for the ground state properties of the Hubbard model by introducing an Ising anisotropy into the Hamiltonian. For the two-dimensional square lattice half-filled Hubbard model, the ground state energy, local moment, sublattice magnetization, uniform magnetic susceptibility, and spin stiffness are calculated as a function of U/t, where U is the Coulomb constant and t is the hopping parameter. Magnetic susceptibility data indicate a crossover around U\ensuremath{\approxeq}4 between spin density wave antiferromagnetism and Heisenberg antiferromagnetism. Comparisons with Monte Carlo simulations, random phase approximation result, and mean-field solutions are also made.